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27655-30-7 | 2-Benzothiazolecarboxamide, N-hydroxy-, 3-oxide
CAS No: 27655-30-7 Catalog No: AG002UCC MDL No:MFCD28958000
Product Description
Catalog Number:
AG002UCC
Chemical Name:
2-Benzothiazolecarboxamide, N-hydroxy-, 3-oxide
CAS Number:
27655-30-7
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD28958000
IUPAC Name:
N-hydroxy-3-oxido-1,3-benzothiazol-3-ium-2-carboxamide
InChI:
InChI=1S/C8H6N2O3S/c11-7(9-12)8-10(13)5-3-1-2-4-6(5)14-8/h1-4,12H,(H,9,11)
InChI Key:
UYYKJDZMBWGUID-UHFFFAOYSA-N
SMILES:
ONC(=O)c1sc2c([n+]1[O-])cccc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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